3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C18H24N4O — CID 131933215

IUPAC3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCn1cc(CCC(=O)Nc2cccc(CN3CCCC3)c2)cn1
InChIInChI=1S/C18H24N4O/c1-21-13-16(12-19-21)7-8-18(23)20-17-6-4-5-15(11-17)14-22-9-2-3-10-22/h4-6,11-13H,2-3,7-10,14H2,1H3,(H,20,23)
InChIKeyHEYULVVMIDCTSH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.59
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide

3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 131933215) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID131933215
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCn1cc(CCC(=O)Nc2cccc(CN3CCCC3)c2)cn1
InChIInChI=1S/C18H24N4O/c1-21-13-16(12-19-21)7-8-18(23)20-17-6-4-5-15(11-17)14-22-9-2-3-10-22/h4-6,11-13H,2-3,7-10,14H2,1H3,(H,20,23)
InChIKeyHEYULVVMIDCTSH-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 46410718
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
CID 78905445
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
3-(3-bromo-4-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]propanamide
CID 34453729
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
N-[3-(azepan-1-ylmethyl)phenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 46957614
2-indazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131952566

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 131933215) is 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide is Cn1cc(CCC(=O)Nc2cccc(CN3CCCC3)c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is HEYULVVMIDCTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-13-16(12-19-21)7-8-18(23)20-17-6-4-5-15(11-17)14-22-9-2-3-10-22/h4-6,11-13H,2-3,7-10,14H2,1H3,(H,20,23).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 312.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 131933215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).